Sugi Predict

Sugi Predict / Compounds / SCHEMBL12436210

SCHEMBL12436210

SCHEMBL12436210

CN(C)C(=O)N(C)c1cc(Br)cc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ NCEH1 Q6PIU2 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12436182 0.82 NOTUM (0.46) —
SCHEMBL19259811 0.80 ALDH1A1 (0.33) ALDH1A1NCEH1TUBB4ATUBBTUBA3C
SCHEMBL10013514 0.78 TUBB4A (0.33) ALDH1A1NCEH1TUBB4ATUBBTUBA3C
SCHEMBL12436239 0.74 ATF1 (0.42) ALDH1A1
SCHEMBL29971432 0.71 BRD4 (0.40) NCEH1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12230506 0.70 TACR1 (0.38) ALDH1A1LMNAKDM4E
SCHEMBL12435510 0.69 TACR1 (0.54) MAPT
SCHEMBL762796 0.68 NPSR1 (0.52) ALDH1A1LMNAKDM4E
SCHEMBL12550520 0.68 ALDH1A1 (0.49) ALDH1A1LMNAKDM4EMAPTHPGD
SCHEMBL1004135 0.68 ALDH1A1 (0.46) ALDH1A1NCEH1TUBB4ATUBBTUBA3C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 — — US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 — — US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 — — US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 — — US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 — — US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 — — EP disclosed
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B ALDH1A1 3648/4885NCEH1 1498/4885TUBB4A 4065/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.